Computational Evaluation of the Anticancer Potential of Celastrus paniculatus: An Integrative Approach using Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation
Aug 2026· Journal of Pharmaceutical Innovation· Vol 22· 0 citations· 81 references
TL;DR
This comprehensive study elucidates the therapeutic efficacy of C. paniculatus in combating lung cancer, thereby facilitating the development of potent anti-cancer interventions.
BACKGROUND
Rosacea is a chronic inflammatory skin disorder with limited therapeutic options. Puhuaiyin (PHY), a traditional Chinese medicinal formula, shows clinical efficacy, but its multi-component mechanisms remain unclear.
METHODS
Chemical constituents of PHY were identified by UPLC-Q-TOF-MS. Network pharmacology...
Dan Sun, Na-Na Yang, Yi-Ding Zhao et al.· Current Computer - Aided Dru...· 0 citations
The results suggest that A. cardamomum could serve as a potential source for developing new plant-based therapies against breast cancer and further in vitro and in vivo investigations are warranted to validate their efficacy and safety.
Dessy Arisanty, S. Khairani, K. Cuandra et al.· F1000Research· 0 citations
Computational predictions of potential interactions between selected cinnamon-derived phytochemicals and cancer-associated signaling proteins are provided and are consistent with the preliminary observation that the crude cinnamon extract exhibits antioxidant activity and cytotoxic effects in colorectal cancer cell lin...
R. Raut, S. Anwar, Reem Alromaihi et al.· Current Issues in Molecular...· 0 citations
The study highlighted the therapeutic action of C. longa, A. indica, and A. racemosus in combating ovarian cancer and promoting the development of plant-based treatments for this cancer through a combined approach of network pharmacology and molecular docking.
Seneha Santoshi, Aastha Tanwar, Riddhi Bahri et al.· Zeitschrift für Naturforschu...· 0 citations
Objective: The present study was designed to investigate the prospective genetic targets of Boehmeria nivea root constituents for oncological applications via network pharmacology and laboratory validation, thereby clarifying the medicinal pathways of this plant. Methods: Major bioactive molecules from Boehmeria nivea...